tert-butyl N-[6-[(4-bromanyl-2,6-dimethyl-phenyl)carbamoyl]-1,3-benzothiazol-2-yl]carbamate

Systemtic Name: tert-butyl N-[6-[(4-bromanyl-2,6-dimethyl-phenyl)carbamoyl]-1,3-benzothiazol-2-yl]carbamate Openeye Name: tert-butyl N-[6-[(4-bromo-2,6-dimethyl-phenyl)carbamoyl]-1,3-benzothiazol-2-yl]carbamate CAS Name: N-[6-[(4-bromo-2,6-dimethylanilino)-oxomethyl]-1,3-benzothiazol-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[6-[(4-bromo-2,6-dimethylphenyl)carbamoyl]-1,3-benzothiazol-2-yl]carbamate Traditional Name: N-[6-[(4-bromo-2,6-dimethyl-phenyl)carbamoyl]-1,3-benzothiazol-2-yl]carbamic acid tert-butyl ester Formula: C21H22BrN3O3S MolecularWeight: 476.38668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)OC(C)(C)C)C)Br

Isomeric SMILES

CC1=CC(=CC(=C1NC(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)OC(C)(C)C)C)Br

InChI

InChI=1S/C21H22BrN3O3S/c1-11-8-14(22)9-12(2)17(11)24-18(26)13-6-7-15-16(10-13)29-19(23-15)25-20(27)28-21(3,4)5/h6-10H,1-5H3,(H,24,26)(H,23,25,27)